Lee Taekgi

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Questions related from Lee Taekgi

MP2 Calculation for Mg Open Metal Site, But gaussian and orca shows different results?

I was reproducing Gaussian Binding Energy results (which considered BSSE Energy) in Orca, especiall MP2 Calculation. but the results is too different. So, I want to know which part I missed in my...

17 March 2025 7,384 0 View

How can i do the Binding Energy calcuation in ORCA using BSSE?

Hello. I'm a beginner of the dft from PNU, South Korea undergraduated student and tying to calculate binding energy. actually i have a question which is that for the binding energy calculation I...

06 March 2025 747 4 View